Crystallography Open Database

Information card for entry 7100292

Preview

Coordinates	7100292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H128 N4 O10
Calculated formula	C94 H128 N4 O10
SMILES	C1(c2cc3c(cc2O)Oc2c(Oc4c(C3CCCCCCCCCCC)cc(c(c4)O)C(c3cc4c(cc3O)Oc3c(Oc5c(C4CCCCCCCCCCC)cc1c(c5)O)nc1c(n3)cccc1)CCCCCCCCCCC)nc1c(n2)cccc1)CCCCCCCCCCC.O=C(C)C.O=C(C)C
Title of publication	Selective Steroid Recognition by a Partially Bridged Resorcin[4]arene Cavitand
Authors of publication	Francois Diederich; Vladimir A. Azov; Martina Cacciarini; Hermann Kunzer; Paul Seiler
Journal of publication	Chemical Communications
Year of publication	2005
a	11.84 ± 0.0002 Å
b	13.8058 ± 0.0002 Å
c	28.6689 ± 0.0004 Å
α	78.641 ± 0.001°
β	80.066 ± 0.001°
γ	72.126 ± 0.001°
Cell volume	4341.04 ± 0.11 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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